Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEGASDKLLREPFRANFKRERSSSYSTERGSPTSPHLRRLRPLPTSSSEGKGAADGDGEEDPHTRRQAEPELFELTPHGGTANTNVRATRFGVEGLRIGRDPSCCDLVLPSN---------SVSRLHCVLSVLG-----DDVFVHDNSFNGTFINGRRVGRGRCSVLHPRDTLSFLNPTLEEASRCGFEFAPLPGHSSSAFTAVEGLRRYELGPVLGQGSLAAVRLGIDRETGAPVAIKLIERGRFS--CEEAAASLHTEIEMMRSMDHPHVVRVVDAFEGSGCVALVMEYVRGGDLFDYIVGRGRNPFTEAEARHLFGQLLEAILYIHGRSIIHCDLKPENVLVDVVRRGSDGEVDTTSASATATTQGVASSALQTDGDAALSVVDDHQAEAKTVSPYDVRLKLADFGSAKYEGGGAGGGMLETTGAATPVYAAPELACFPADGAPPHEITAVVDVWSLGVLLYILCSGTVPKPPRADAVV----AFNR-------SMTHLSVLCKDLIARMMTVDPSQRPSLADVCHHPWLDGLTISGAPDRGALGSKDVLSVTAKLSPSFPEAAKPL 3I6U Chain:A ((92-493)) ----------------------------------------------------------------------PWARLWALQDG----FANLECVNDNYWFGRDK-SCEYCFDEPLLKRTDKYRTYSKKHFRIFREVGPKNSYIAYIEDHSGNGTFVNTELVGKGKRRPLNNNSEIALSLSR-----NKVFVFFDLTVD-DQSVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIRIISKRKFAIG-----LNVETEIEILKKLNHPCIIKIKNFFDAE-DYYIVLELMEGGELFDKVVGNK--RLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQ-------------------------------------------------EEDCLIKITDFGHSKILG---------------PTYLAPEVLV--------AGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKR------------------------------

General information: TITO was launched using: RESULT: Template: 3I6U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1634 -54633 -33.43 -155.21 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -33.43 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.412

(partial model without unconserved sides chains): PDB file : Tito_3I6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I6U-query.scw PDB file : Tito_Scwrl_3I6U.pdb: